Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
100GTR4_HUMAN18 64% 0.412 PF00083 15 - (0)2 - / - / - 0
101MFRN1_HUMAN6 29% 0.129 PF00153 15 - (0)? - / - / - 0
102NTCP2_HUMAN5 33% 0.224 PF01030 15 - (0)? - / - / - 0
103S22A6_HUMAN6 43% 0.297 PF00083 15 - (0)? - / - / - 0
104S22AA_HUMAN3 36% 0.342 PF00083 15 - (0)? - / - / - 0
105S47A1_HUMAN9 25% 0.228 PF03742 15 - (0)? - / - / - 0
106GTR7_HUMAN19 43% 0.377 PF00083 15 - (0)? - / - / - 0
107S2545_HUMAN10 30% 0.128 PF00153 15 - (0)? - / - / - 0
108NCKX6_HUMAN3 40% 0.289 PF00180 14 - (0)? - / - / - 0
109S22A5_HUMAN1 43% 0.213 PF07690 14 - (0)? - / - / - 0
110S39A1_HUMAN0 41% 0.371 PF02525 14 - (12)? - / - / - 0
111S26A6_HUMAN10 36% 0.395 PF01867 14 - (0)? - / - / - 0
112S22AV_HUMAN6 31% 0.201 PF00083 14 - (0)? - / - / - 0
113GTR12_HUMAN17 37% 0.362 PF07690 14 - (0)? - / - / - 0
114S29A3_HUMAN0 36% 0.382 PF05053 13 - (0)? - / - / - 0
115S29A1_HUMAN2 37% 0.306 PF07690 13 - (0)? - / - / - 0
116GTR1_HUMAN20 99% 0.411 PF00083 C1_S113 - (0)2 - / - / 1 0
117NCKX5_HUMAN3 42% 0.274 PF01699 13 - (0)? - / - / - 0
118GTR9_HUMAN16 38% 0.398 PF00083 C3_S113 - (0)2 - / - / 1 0
119NTCP5_HUMAN4 28% 0.327 PF06965 13 - (0)? - / - / - 0
120CTR4_HUMAN7 32% 0.351 PF13520 13 - (5)? - / - / - 0
121SL9C1_HUMAN16 38% 0.397 PF00027 13 - (0)? - / - / - 0
1224F2_HUMAN15 100% 0.613 PF00128 12 - (0)? - / - / - 0
123S22AF_HUMAN6 50% 0.226 PF07690 12 - (0)? - / - / - 0
124NCKX1_HUMAN7 39% 0.168 PF01699 12 - (0)? - / - / - 0
125S22A8_HUMAN8 43% 0.333 PF00083 12 - (2)? - / - / - 0
126S22A9_HUMAN7 43% 0.319 PF00083 12 - (0)? - / - / - 0
127S28A3_HUMAN10 40% 0.439 PF00584 12 - (0)? - / - / - 0
128S39AD_HUMAN0 33% -0.002 PF00106 12 - (0)? - / - / - 0
129S22A2_HUMAN12 36% 0.286 PF00083 12 - (0)? - / - / - 0
130S22AB_HUMAN5 43% 0.309 PF00083 12 - (0)? - / - / - 0
131GTR10_HUMAN18 33% 0.348 PF00083 C2_S112 - (0)? - / - / 1 0
132S22A3_HUMAN6 52% 0.248 PF00083 12 - (0)? - / - / - 0
133S28A2_HUMAN10 38% 0.394 PF00584 12 - (0)? - / - / - 0
134S28A1_HUMAN10 43% 0.389 PF01568 12 - (0)? - / - / - 0
135S22A1_HUMAN4 27% 0.304 PF00083 12 - (0)? - / - / - 0
136S2546_HUMAN6 50% 0.251 PF00153 12 - (0)? - / - / - 0
137MOT8_HUMAN9 24% 0.244 PF07690 12 - (0)? - / - / - 0
138GTR6_HUMAN15 35% 0.390 PF00083 12 - (0)? - / - / - 0
139CTR3_HUMAN4 31% 0.311 PF13520 12 - (0)? - / - / - 0
140S22AH_HUMAN7 41% 0.243 PF00083 11 - (0)? - / - / - 0
141NTCP7_HUMAN1 45% 0.355 PF00005 11 - (0)? - / - / - 0
142NCKX4_HUMAN3 26% 0.183 PF01699 11 - (0)? - / - / - 0
143S39A9_HUMAN0 42% 0.122 PF03453 11 - (0)? - / - / - 0
144NTCP_HUMAN5 40% 0.227 PF06965 11 - (0)? - / - / - 0
145P3_HUMAN5 29% 0.297 PF06965 11 - (0)? - / - / - 0
146S22A4_HUMAN3 43% 0.205 PF07690 11 - (0)? - / - / - 0
147S22AG_HUMAN7 36% 0.252 PF00083 11 - (0)? - / - / - 0
148NCKX3_HUMAN3 30% 0.206 PF01699 10 - (0)? - / - / - 0
149S22AC_HUMAN6 35% 0.317 PF00083 10 - (0)? - / - / - 0
150S36A4_HUMAN3 42% 0.267 PF13520 10 - (0)? - / - / - 0

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